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GPCR

NameVasopressin V1a receptor
SpeciesRattus norvegicus (Rat)
GeneAvpr1a
SynonymAVPR
AVPR V1a
AVPR1
antidiuretic hormone receptor 1a
V1A receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length424
Amino acid sequenceMSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
UniProtP30560
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2868
IUPHAR366
DrugBankN/A

Ligand

NameCHEMBL71355
Molecular formulaC26H20BrN3O2
IUPAC name2-bromo-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
Molecular weight486.369
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
SynonymsN-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-2-bromo-benzamide
N-[4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-2-bromobenzamide
N-[4-(5H-pyrrolo-[2, 1-c][1,4]benzodiazepin-10(11H) -ylcarbonyl)phenyl]-2-bromobenzamide
BDBM50129464
SCHEMBL5739957
[ Show all ]
Inchi KeyGDZIUPSVNFJQPJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
PubChem CID18917534
ChEMBLCHEMBL71355
IUPHARN/A
BindingDB50129464
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC502.0 nMPMID12798333BindingDB,ChEMBL

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